SCHEMBL452464

SCHEMBL452464

COc1ccc(S(=O)(=O)N(C)C(C)c2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 6/20 0.51
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
C1R P00736 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PDE10A Q9Y233 2/20 0.44
PTGS2 P35354 1/20 0.44
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL450173 1.00 CXCR3 (0.51) CXCR3ALDH1A1TSHRLMNATRPV1
SCHEMBL451745 0.93 CXCR3 (0.55) CXCR3ALDH1A1TSHRLMNAC1R
SCHEMBL448756 0.91 CXCR3 (0.53) CXCR3ALDH1A1TSHRLMNAC1R
SCHEMBL451703 0.89 ALDH1A1 (0.58) CXCR3ALDH1A1LMNAC1RMEN1
SCHEMBL448997 0.88 SMN1; SMN2 (0.53) CXCR3ALDH1A1LMNAC1RMEN1
SCHEMBL452231 0.88 CXCR3 (0.51) CXCR3ALDH1A1TSHRLMNAC1R
SCHEMBL448553 0.88 CXCR3 (0.51) CXCR3ALDH1A1TSHRTRPV1C1R
SCHEMBL452048 0.87 CXCR3 (0.54) CXCR3ALDH1A1LMNAMEN1KMT2A
SCHEMBL451205 0.87 CXCR3 (0.50) CXCR3ALDH1A1LMNAC1RMEN1
SCHEMBL452382 0.85 CXCR3 (0.49) CXCR3TRPV1C1RMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US claimed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US claimed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP claimed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885ALDH1A1 3161/4885TSHR 518/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885ALDH1A1 3161/4885TSHR 518/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.